Pu5Np5(Ge5Ir2)4
Alexandria ALEXAlex-ID: agm018556743 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B5C8D20_0_spg38
NpGeIr PuNpGe6 PuGe2Ir NpGe2Ir
2024-10-05 08:58:04.773394
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018556743).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm018556743
data_agm018556743
_cell_length_a 13.01863
_cell_length_b 13.01863
_cell_length_c 4.39111
_cell_angle_alpha 89.99757
_cell_angle_beta 89.99757
_cell_angle_gamma 90.06457
_cell_volume 744.22590
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pu1 Pu 0.82564 0.17436 0.00000 1.00000
Pu2 Pu 0.17581 0.82419 0.00000 1.00000
Pu3 Pu 0.32385 0.32472 0.99984 1.00000
Pu4 Pu 0.67528 0.67615 0.00016 1.00000
Pu5 Pu 0.61320 0.38680 0.00000 1.00000
Np1 Np 0.38847 0.61153 0.00000 1.00000
Np2 Np 0.11141 0.11156 0.99998 1.00000
Np3 Np 0.88844 0.88859 0.00002 1.00000
Np4 Np 0.99959 0.49998 0.49688 1.00000
Np5 Np 0.50002 0.00041 0.50312 1.00000
Ge1 Ge 0.93350 0.06650 0.50000 1.00000
Ge2 Ge 0.06729 0.93271 0.50000 1.00000
Ge3 Ge 0.43306 0.43220 0.49950 1.00000
Ge4 Ge 0.56780 0.56694 0.50050 1.00000
Ge5 Ge 0.83789 0.70352 0.50589 1.00000
Ge6 Ge 0.16197 0.29748 0.50558 1.00000
Ge7 Ge 0.33795 0.79754 0.49332 1.00000
Ge8 Ge 0.66210 0.20217 0.49214 1.00000
Ge9 Ge 0.20246 0.66205 0.50668 1.00000
Ge10 Ge 0.79783 0.33790 0.50786 1.00000
Ge11 Ge 0.29648 0.16211 0.49411 1.00000
Ge12 Ge 0.70252 0.83803 0.49442 1.00000
Ge13 Ge 0.84260 0.50187 0.99742 1.00000
Ge14 Ge 0.15680 0.49817 0.99738 1.00000
Ge15 Ge 0.34356 0.99754 0.00261 1.00000
Ge16 Ge 0.65646 0.00271 0.00259 1.00000
Ge17 Ge 0.00246 0.65644 0.99739 1.00000
Ge18 Ge 0.99729 0.34354 0.99741 1.00000
Ge19 Ge 0.49813 0.15740 0.00258 1.00000
Ge20 Ge 0.50183 0.84320 0.00262 1.00000
Ir1 Ir 0.75758 0.52369 0.49664 1.00000
Ir2 Ir 0.24380 0.47734 0.49671 1.00000
Ir3 Ir 0.25656 0.97708 0.50325 1.00000
Ir4 Ir 0.74370 0.02289 0.50324 1.00000
Ir5 Ir 0.02292 0.74344 0.49675 1.00000
Ir6 Ir 0.97711 0.25630 0.49676 1.00000
Ir7 Ir 0.47631 0.24242 0.50336 1.00000
Ir8 Ir 0.52266 0.75620 0.50329 1.00000
